1,5-bis(ethenylsulfonyl)-3-methoxypentane

C10H18O5S2 — CID 130227085

IUPAC1,5-bis(ethenylsulfonyl)-3-methoxypentane
SMILESC=CS(=O)(=O)CCC(CCS(=O)(=O)C=C)OC
InChIInChI=1S/C10H18O5S2/c1-4-16(11,12)8-6-10(15-3)7-9-17(13,14)5-2/h4-5,10H,1-2,6-9H2,3H3
InChIKeyMBWADRZNAVGVOL-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.90
Rot. Bonds9

About 1,5-bis(ethenylsulfonyl)-3-methoxypentane

1,5-bis(ethenylsulfonyl)-3-methoxypentane (PubChem CID 130227085) has the molecular formula C10H18O5S2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1,5-bis(ethenylsulfonyl)-3-methoxypentane.

Molecular Properties

Compound Name1,5-bis(ethenylsulfonyl)-3-methoxypentane
PubChem CID130227085
Molecular FormulaC10H18O5S2
Molecular Weight282.38 g/mol
Exact Mass282.06
IUPAC Name1,5-bis(ethenylsulfonyl)-3-methoxypentane
SMILESC=CS(=O)(=O)CCC(CCS(=O)(=O)C=C)OC
InChIInChI=1S/C10H18O5S2/c1-4-16(11,12)8-6-10(15-3)7-9-17(13,14)5-2/h4-5,10H,1-2,6-9H2,3H3
InChIKeyMBWADRZNAVGVOL-UHFFFAOYSA-N
XLogP0.90
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethenylsulfonyl)-3-methoxypentane?
The IUPAC name of 1,5-bis(ethenylsulfonyl)-3-methoxypentane (CID 130227085) is 1,5-bis(ethenylsulfonyl)-3-methoxypentane.
What is the SMILES notation for 1,5-bis(ethenylsulfonyl)-3-methoxypentane?
The canonical SMILES for 1,5-bis(ethenylsulfonyl)-3-methoxypentane is C=CS(=O)(=O)CCC(CCS(=O)(=O)C=C)OC.
What is the InChIKey of 1,5-bis(ethenylsulfonyl)-3-methoxypentane?
The InChIKey is MBWADRZNAVGVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S2/c1-4-16(11,12)8-6-10(15-3)7-9-17(13,14)5-2/h4-5,10H,1-2,6-9H2,3H3.
What are the key properties of 1,5-bis(ethenylsulfonyl)-3-methoxypentane?
1,5-bis(ethenylsulfonyl)-3-methoxypentane has a molecular weight of 282.38 g/mol, XLogP of 0.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethenylsulfonyl)-3-methoxypentane is sourced from PubChem (CID 130227085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).